MESPEUS

MESPEUS catalogs metal coordination groups from Protein Data Bank (PDB) structures to provide detailed geometrical descriptions of metal sites in metalloproteins.

Key Features:

• Extensive Metal Type Coverage: The database encompasses information on 40 different types of metals.
• Geometrical Information and Symmetry Considerations: Provides comprehensive geometrical data for metal sites and applies space group symmetry operations to include symmetry-related coordinating atoms.
• Search and Filtering Capabilities: Enables targeted queries using metal elements, metal-donor distances, coordination numbers, donor residue groups, and structural resolution, individually or in combination.
• Regular Synchronization with PDB: Data are updated monthly by synchronizing with the PDB database.

Scientific Applications:

• Metalloprotein Research: Supports analysis of structure–function relationships in metalloproteins through detailed coordination geometry and metal site data.
• Biological Mechanism Elucidation: Facilitates exploration of specific metal-dependent interactions such as Mg-ATP binding.

Methodology:

MESPEUS selects metal coordination groups from PDB structures and applies space group symmetry operations to ensure comprehensive coverage of all potential coordinating atoms.